5-methyl-3a,4-dihydro-1-benzofuran

C9H10O — CID 147899319

IUPAC5-methyl-3a,4-dihydro-1-benzofuran
SMILESCC1=CC=C2OC=CC2C1
InChIInChI=1S/C9H10O/c1-7-2-3-9-8(6-7)4-5-10-9/h2-5,8H,6H2,1H3
InChIKeyIDYNXHNOQBKVLB-UHFFFAOYSA-N
MW134.18 g/mol
LogP2.38
Rot. Bonds

About 5-methyl-3a,4-dihydro-1-benzofuran

5-methyl-3a,4-dihydro-1-benzofuran (PubChem CID 147899319) has the molecular formula C9H10O and a molecular weight of 134.18 g/mol. Its IUPAC name is 5-methyl-3a,4-dihydro-1-benzofuran.

Molecular Properties

Compound Name5-methyl-3a,4-dihydro-1-benzofuran
PubChem CID147899319
Molecular FormulaC9H10O
Molecular Weight134.18 g/mol
Exact Mass134.07
IUPAC Name5-methyl-3a,4-dihydro-1-benzofuran
SMILESCC1=CC=C2OC=CC2C1
InChIInChI=1S/C9H10O/c1-7-2-3-9-8(6-7)4-5-10-9/h2-5,8H,6H2,1H3
InChIKeyIDYNXHNOQBKVLB-UHFFFAOYSA-N
XLogP2.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Tetrahydrobenzofuran
CID 17985514
1,9a-Dihydrobenzo[f][2]benzofuran
CID 22463394
Tetrahydrocyclopenta[b]pyran
CID 129833888
2-Methoxynorbornadiene
CID 144651
6-ethyl-5-[(E)-2-fluoroethenyl]-3-methyl-3,4-dihydro-2H-pyran
CID 89247336
5-[(E)-2-fluoroethenyl]-3,6-dimethyl-3,4-dihydro-2H-pyran
CID 89247407
6-Fluoro-3,7-dimethyl-2,3,4,7-tetrahydrocyclopenta[b]pyran
CID 89247557
3-Methoxy-3a-methyl-3ah-indene
CID 12638178
4-Methyl-6-hydroxy-1,8-dihydroisobenzofuran
CID 172432194
(9aS,9bS)-8-fluoro-9a,9b-dihydrobenzo[e][1]benzofuran
CID 100992453
3,3-difluoro-4,7-dimethyl-6,7-dihydro-2H-1-benzofuran
CID 162586725
3-Cyclohexa-1,4-dien-1-yl-2,3-dihydrofuran
CID 12634769

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3a,4-dihydro-1-benzofuran?
The IUPAC name of 5-methyl-3a,4-dihydro-1-benzofuran (CID 147899319) is 5-methyl-3a,4-dihydro-1-benzofuran.
What is the SMILES notation for 5-methyl-3a,4-dihydro-1-benzofuran?
The canonical SMILES for 5-methyl-3a,4-dihydro-1-benzofuran is CC1=CC=C2OC=CC2C1.
What is the InChIKey of 5-methyl-3a,4-dihydro-1-benzofuran?
The InChIKey is IDYNXHNOQBKVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O/c1-7-2-3-9-8(6-7)4-5-10-9/h2-5,8H,6H2,1H3.
What are the key properties of 5-methyl-3a,4-dihydro-1-benzofuran?
5-methyl-3a,4-dihydro-1-benzofuran has a molecular weight of 134.18 g/mol, XLogP of 2.38, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3a,4-dihydro-1-benzofuran is sourced from PubChem (CID 147899319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).